SCHEMBL13804643

SCHEMBL13804643

CCc1ccc2c(c1)C(NCC(S)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)CS(=O)(=O)C2

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.86
CTSD P07339 18/20 0.86

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3501403 0.92 BACE1 (1.00) BACE1CTSD
SCHEMBL5713688 0.92 BACE1 (1.00) BACE1CTSD
SCHEMBL13804636 0.90 BACE1 (0.83) BACE1CTSD
SCHEMBL13804642 0.89 BACE1 (0.68) BACE1CTSD
SCHEMBL6836279 0.87 BACE1 (0.87) BACE1CTSD
SCHEMBL3500783 0.85 BACE1 (0.86) BACE1CTSD
SCHEMBL6699040 0.85 BACE1 (0.86) BACE1CTSD
SCHEMBL5715361 0.84 BACE1 (1.00) BACE1CTSD
SCHEMBL5713682 0.84 BACE1 (0.84) BACE1CTSD
SCHEMBL3501404 0.84 BACE1 (0.84) BACE1CTSD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed